2-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)acetamide

C17H19ClN2O — CID 60647462

IUPAC2-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O/c1-13-2-8-16(9-3-13)20-17(21)12-19-11-10-14-4-6-15(18)7-5-14/h2-9,19H,10-12H2,1H3,(H,20,21)
InChIKeyCWVNUNJMUUOZBP-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.42
Rot. Bonds6

About 2-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)acetamide

2-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)acetamide (PubChem CID 60647462) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)acetamide
PubChem CID60647462
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O/c1-13-2-8-16(9-3-13)20-17(21)12-19-11-10-14-4-6-15(18)7-5-14/h2-9,19H,10-12H2,1H3,(H,20,21)
InChIKeyCWVNUNJMUUOZBP-UHFFFAOYSA-N
XLogP3.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-chlorophenyl)ethylamino]-N-(4-ethylphenyl)acetamide
CID 109002843
2-[2-(4-chlorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 109002847
2-[2-(4-chlorophenyl)ethylamino]-N-(3,4-dichlorophenyl)acetamide
CID 109002904
N-[2-(4-chloroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112997921
2-[2-(4-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 109000448
N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)ethylamino]acetamide
CID 109006756
3-[2-(4-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)propanamide
CID 109028071
N,3-bis(4-methylphenyl)propanamide
CID 19220434
methyl 2-[2-(4-chlorophenyl)ethylamino]acetate
CID 54033204
2-[5-chloro-4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66531956
2-[5-chloro-4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66530394
4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)acetamide (CID 60647462) is 2-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CNCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is CWVNUNJMUUOZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-13-2-8-16(9-3-13)20-17(21)12-19-11-10-14-4-6-15(18)7-5-14/h2-9,19H,10-12H2,1H3,(H,20,21).
What are the key properties of 2-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)acetamide?
2-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 302.81 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 60647462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).